Enhancement of gene expression noise from transcription factor binding to genomic decoy sites

by Dey, Supravat, Soltani, Mohammad, Singh, Abhyudai
Published in Scientific reports

Hylleraas-Configuration Interaction Non-Relativistic Energies for the 3 [sup.1]S, 4 [sup.1]S, 5 [sup.1]S, 6 [sup.1]S, and 7 [sup.1]S Excited States of the Beryllium Atom

by Sims, James S
Published in Journal of research of the National Institute of Standards and Technology

Catalyst: Fast and flexible modeling of reaction networks

by Loman, Torkel E, Ma, Yingbo, Ilin, Vasily, Gowda, Shashi, Korsbo, Niklas, Yewale, Nikhil, Rackauckas, Chris, Isaacson, Samuel A
Published in PLoS computational biology

DeepCME: A deep learning framework for computing solution statistics of the chemical master equation

by Gupta, Ankit, Schwab, Christoph, Khammash, Mustafa
Published in PLoS computational biology

Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA

by Mashayak, S Y, Jochum, Mara N, Koschke, Konstantin, Aluru, N R, Rühle, Victor, Junghans, Christoph
Published in PloS one

A community-powered search of machine learning strategy space to find NMR property prediction models

by Bratholm, Lars A, Gerrard, Will, Anderson, Brandon, Bai, Shaojie, Choi, Sunghwan, Dang, Lam, Hanchar, Pavel, Howard, Addison, Kim, Sanghoon, Kolter, Zico, Kondor, Risi, Kornbluth, Mordechai, Lee, Youhan, Lee, Youngsoo, Mailoa, Jonathan P, Nguyen, Thanh Tu, Popovic, Milos, Rakocevic, Goran, Reade, Walter, Song, Wonho, Stojanovic, Luka, Thiede, Erik H, Tijanic, Nebojsa, Torrubia, Andres, Willmott, Devin, Butts, Craig P, Glowacki, David R
Published in PloS one

Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study

by Liu, Dongmei, Bo, Huifeng, Jin, Yongchao, Li, Deyang, Zhang, Zhanxin, Gong, Kai, Lin, Ye, Li, Sijia
Published in PloS one

The quantum taste of hydrogen

by Depondt, Philippe, Huppert, Simon, Finocchi, Fabio
Published in EPJ Web of Conferences

Predicting the mechanism and rate of H-NS binding to AT-rich DNA

by Riccardi, Enrico, van Mastbergen, Eva C, Navarre, William Wiley, Vreede, Jocelyne
Published in PLoS computational biology

ReaDDy 2: Fast and flexible software framework for interacting-particle reaction dynamics

by Hoffmann, Moritz, Fröhner, Christoph, Noé, Frank
Published in PLoS computational biology

Implicit solvent systematic coarse-graining of dioleoylphosphatidylethanolamine lipids: From the inverted hexagonal to the bilayer structure

by Mortezazadeh, Saeed, Jamali, Yousef, Naderi-Manesh, Hossein, Lyubartsev, Alexander P
Published in PloS one

RNA length has a non-trivial effect in the stability of biomolecular condensates formed by RNA-binding proteins

by Sanchez-Burgos, Ignacio, Espinosa, Jorge R, Joseph, Jerelle A, Collepardo-Guevara, Rosana
Published in PLoS computational biology

Structures, dynamics, and hydrogen-bond interactions of antifreeze proteins in TIP4P/Ice water and their dependence on force fields

by Lee, Hwankyu
Published in PloS one

A database of computed Raman spectra of inorganic compounds with accurate hybrid functionals

by Li, Yuheng, Lee, Damien K J, Cai, Pengfei, Zhang, Ziyi, Gorai, Prashun, Canepa, Pieremanuele
Published in Scientific data

COMPUTER SIMULATION OF LOCAL MOBILITY IN DENDRIMERS WITH ASYMMETRIC BRANCHING BY BROWNIAN DYNAMICS METHOD

by Shavykin, O V, Popova, E V, Darinskii, A A, Neelov, I M, Leermakers, F
Published in Nauchno-tekhnicheskiĭ vestnik informat͡s︡ionnykh tekhnologiĭ, mekhaniki i optiki

Data-driven model reduction of agent-based systems using the Koopman generator

by Niemann, Jan-Hendrik, Klus, Stefan, Schütte, Christof
Published in PloS one

Singular value decomposition of the radial distribution function for hard sphere and square well potentials

by Hoppe, Travis
Published in PloS one

Prediction of perturbed proton transfer networks

by Reidelbach, Marco, Weber, Marcus, Imhof, Petra
Published in PloS one

Effect of Time-Delayed Feedback on the Interaction of a Dimer System with its Environment

by Farhat, M, Kais, S, Alharbi, F H
Published in Scientific reports

The Effect of Tethers on Artificial Cell Membranes: A Coarse-Grained Molecular Dynamics Study

by Hoiles, William, Gupta, Rini, Cornell, Bruce, Cranfield, Charles, Krishnamurthy, Vikram
Published in PloS one